USER MOD reduce.3.24.130724 H: found=0, std=0, add=207, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 208 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 292 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 296 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 278 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.25) USER MOD Single : A 280 MET CE :methyl 174:sc= -1.26 (180deg=-1.29) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ -100:sc= -0.0145 (180deg=-0.961) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N ILE A 276 1.535 3.515 -2.636 1.00 0.00 N ATOM 161 CA ILE A 276 0.440 2.660 -2.094 1.00 0.00 C ATOM 162 C ILE A 276 -0.113 3.257 -0.796 1.00 0.00 C ATOM 163 O ILE A 276 -1.306 3.421 -0.637 1.00 0.00 O ATOM 164 CB ILE A 276 1.097 1.306 -1.824 1.00 0.00 C ATOM 165 CG1 ILE A 276 1.329 0.581 -3.151 1.00 0.00 C ATOM 166 CG2 ILE A 276 0.182 0.461 -0.935 1.00 0.00 C ATOM 167 CD1 ILE A 276 2.722 -0.051 -3.151 1.00 0.00 C ATOM 0 HA ILE A 276 -0.400 2.579 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 276 2.051 1.459 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 276 0.570 -0.187 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 276 1.236 1.281 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 276 0.651 -0.504 -0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.015 0.978 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.773 0.307 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 276 2.887 -0.568 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 276 3.475 0.727 -3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 276 2.798 -0.764 -2.330 1.00 0.00 H new ATOM 179 N ARG A 277 0.745 3.582 0.131 1.00 0.00 N ATOM 180 CA ARG A 277 0.267 4.168 1.417 1.00 0.00 C ATOM 181 C ARG A 277 -0.787 5.246 1.149 1.00 0.00 C ATOM 182 O ARG A 277 -1.936 5.109 1.519 1.00 0.00 O ATOM 183 CB ARG A 277 1.513 4.780 2.059 1.00 0.00 C ATOM 184 CG ARG A 277 1.907 3.965 3.292 1.00 0.00 C ATOM 185 CD ARG A 277 2.201 2.521 2.878 1.00 0.00 C ATOM 186 NE ARG A 277 1.730 1.690 4.021 1.00 0.00 N ATOM 187 CZ ARG A 277 2.425 1.639 5.126 1.00 0.00 C ATOM 188 NH1 ARG A 277 3.534 2.319 5.237 1.00 0.00 N ATOM 189 NH2 ARG A 277 2.010 0.906 6.123 1.00 0.00 N ATOM 0 H ARG A 277 1.756 3.468 0.055 1.00 0.00 H new ATOM 0 HA ARG A 277 -0.200 3.424 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 277 2.334 4.794 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 277 1.318 5.815 2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 277 2.785 4.404 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 277 1.103 3.987 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 277 1.678 2.260 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 277 3.265 2.372 2.693 1.00 0.00 H new ATOM 0 HE ARG A 277 0.863 1.159 3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 277 3.861 2.893 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 277 4.074 2.277 6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 277 1.144 0.374 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 277 2.552 0.865 6.986 1.00 0.00 H new ATOM 203 N LYS A 278 -0.404 6.318 0.508 1.00 0.00 N ATOM 204 CA LYS A 278 -1.381 7.405 0.217 1.00 0.00 C ATOM 205 C LYS A 278 -2.719 6.812 -0.236 1.00 0.00 C ATOM 206 O LYS A 278 -3.719 6.917 0.448 1.00 0.00 O ATOM 207 CB LYS A 278 -0.745 8.217 -0.912 1.00 0.00 C ATOM 208 CG LYS A 278 -0.176 9.520 -0.349 1.00 0.00 C ATOM 209 CD LYS A 278 -0.383 10.648 -1.362 1.00 0.00 C ATOM 210 CE LYS A 278 0.884 11.502 -1.444 1.00 0.00 C ATOM 211 NZ LYS A 278 0.672 12.600 -0.460 1.00 0.00 N ATOM 0 H LYS A 278 0.545 6.487 0.173 1.00 0.00 H new ATOM 0 HA LYS A 278 -1.588 8.018 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 278 0.047 7.639 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.487 8.434 -1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -0.668 9.767 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 278 0.886 9.402 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -0.618 10.232 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -1.231 11.265 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 278 1.771 10.918 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 278 1.030 11.896 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 1.500 13.229 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -0.175 13.143 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 0.543 12.195 0.489 1.00 0.00 H new ATOM 225 N GLN A 279 -2.744 6.189 -1.384 1.00 0.00 N ATOM 226 CA GLN A 279 -4.014 5.590 -1.881 1.00 0.00 C ATOM 227 C GLN A 279 -4.743 4.881 -0.737 1.00 0.00 C ATOM 228 O GLN A 279 -5.909 5.119 -0.485 1.00 0.00 O ATOM 229 CB GLN A 279 -3.584 4.583 -2.950 1.00 0.00 C ATOM 230 CG GLN A 279 -4.818 3.875 -3.512 1.00 0.00 C ATOM 231 CD GLN A 279 -5.739 4.902 -4.172 1.00 0.00 C ATOM 232 OE1 GLN A 279 -6.691 5.357 -3.570 1.00 0.00 O ATOM 233 NE2 GLN A 279 -5.495 5.288 -5.395 1.00 0.00 N ATOM 0 H GLN A 279 -1.939 6.070 -1.998 1.00 0.00 H new ATOM 0 HA GLN A 279 -4.699 6.339 -2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -3.049 5.093 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -2.897 3.853 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -4.518 3.120 -4.239 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -5.348 3.356 -2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -4.696 4.906 -5.900 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -6.104 5.972 -5.845 1.00 0.00 H new ATOM 242 N MET A 280 -4.060 4.014 -0.039 1.00 0.00 N ATOM 243 CA MET A 280 -4.706 3.290 1.092 1.00 0.00 C ATOM 244 C MET A 280 -5.148 4.283 2.167 1.00 0.00 C ATOM 245 O MET A 280 -6.250 4.217 2.671 1.00 0.00 O ATOM 246 CB MET A 280 -3.622 2.360 1.637 1.00 0.00 C ATOM 247 CG MET A 280 -3.433 1.180 0.683 1.00 0.00 C ATOM 248 SD MET A 280 -3.940 -0.347 1.509 1.00 0.00 S ATOM 249 CE MET A 280 -2.619 -0.384 2.746 1.00 0.00 C ATOM 0 H MET A 280 -3.082 3.776 -0.204 1.00 0.00 H new ATOM 0 HA MET A 280 -5.594 2.741 0.779 1.00 0.00 H new ATOM 0 HB2 MET A 280 -2.684 2.904 1.749 1.00 0.00 H new ATOM 0 HB3 MET A 280 -3.902 1.999 2.627 1.00 0.00 H new ATOM 0 HG2 MET A 280 -4.023 1.331 -0.221 1.00 0.00 H new ATOM 0 HG3 MET A 280 -2.390 1.111 0.375 1.00 0.00 H new ATOM 0 HE1 MET A 280 -2.797 -1.202 3.444 1.00 0.00 H new ATOM 0 HE2 MET A 280 -1.660 -0.533 2.250 1.00 0.00 H new ATOM 0 HE3 MET A 280 -2.603 0.561 3.290 1.00 0.00 H new ATOM 259 N ASP A 281 -4.297 5.205 2.520 1.00 0.00 N ATOM 260 CA ASP A 281 -4.670 6.204 3.560 1.00 0.00 C ATOM 261 C ASP A 281 -6.096 6.706 3.318 1.00 0.00 C ATOM 262 O ASP A 281 -7.000 6.434 4.084 1.00 0.00 O ATOM 263 CB ASP A 281 -3.664 7.343 3.391 1.00 0.00 C ATOM 264 CG ASP A 281 -2.989 7.635 4.732 1.00 0.00 C ATOM 265 OD1 ASP A 281 -3.680 7.618 5.737 1.00 0.00 O ATOM 266 OD2 ASP A 281 -1.792 7.872 4.732 1.00 0.00 O ATOM 0 H ASP A 281 -3.359 5.310 2.133 1.00 0.00 H new ATOM 0 HA ASP A 281 -4.646 5.785 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -2.915 7.073 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -4.169 8.237 3.025 1.00 0.00 H new ATOM 271 N ALA A 282 -6.302 7.439 2.259 1.00 0.00 N ATOM 272 CA ALA A 282 -7.664 7.964 1.964 1.00 0.00 C ATOM 273 C ALA A 282 -8.704 6.840 2.034 1.00 0.00 C ATOM 274 O ALA A 282 -9.596 6.860 2.858 1.00 0.00 O ATOM 275 CB ALA A 282 -7.573 8.519 0.543 1.00 0.00 C ATOM 0 H ALA A 282 -5.583 7.698 1.583 1.00 0.00 H new ATOM 0 HA ALA A 282 -7.974 8.722 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 282 -8.540 8.926 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 282 -6.821 9.307 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 282 -7.293 7.719 -0.143 1.00 0.00 H new ATOM 281 N ALA A 283 -8.599 5.864 1.173 1.00 0.00 N ATOM 282 CA ALA A 283 -9.587 4.745 1.189 1.00 0.00 C ATOM 283 C ALA A 283 -9.604 4.060 2.559 1.00 0.00 C ATOM 284 O ALA A 283 -10.497 3.298 2.870 1.00 0.00 O ATOM 285 CB ALA A 283 -9.101 3.775 0.112 1.00 0.00 C ATOM 0 H ALA A 283 -7.873 5.792 0.460 1.00 0.00 H new ATOM 0 HA ALA A 283 -10.603 5.093 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 283 -9.776 2.921 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 283 -9.082 4.282 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 283 -8.097 3.429 0.360 1.00 0.00 H new ATOM 291 N ALA A 284 -8.621 4.320 3.377 1.00 0.00 N ATOM 292 CA ALA A 284 -8.578 3.678 4.720 1.00 0.00 C ATOM 293 C ALA A 284 -9.297 4.546 5.758 1.00 0.00 C ATOM 294 O ALA A 284 -10.340 4.186 6.266 1.00 0.00 O ATOM 295 CB ALA A 284 -7.091 3.568 5.055 1.00 0.00 C ATOM 0 H ALA A 284 -7.845 4.950 3.172 1.00 0.00 H new ATOM 0 HA ALA A 284 -9.076 2.708 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -6.972 3.103 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -6.592 2.959 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -6.647 4.563 5.070 1.00 0.00 H new ATOM 301 N SER A 285 -8.742 5.682 6.083 1.00 0.00 N ATOM 302 CA SER A 285 -9.388 6.566 7.095 1.00 0.00 C ATOM 303 C SER A 285 -10.477 7.424 6.444 1.00 0.00 C ATOM 304 O SER A 285 -10.580 8.607 6.698 1.00 0.00 O ATOM 305 CB SER A 285 -8.260 7.449 7.625 1.00 0.00 C ATOM 306 OG SER A 285 -7.160 6.632 8.002 1.00 0.00 O ATOM 0 H SER A 285 -7.869 6.036 5.692 1.00 0.00 H new ATOM 0 HA SER A 285 -9.871 5.995 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 285 -7.952 8.163 6.861 1.00 0.00 H new ATOM 0 HB3 SER A 285 -8.608 8.028 8.481 1.00 0.00 H new ATOM 0 HG SER A 285 -6.434 7.197 8.341 1.00 0.00 H new ATOM 312 N LYS A 286 -11.290 6.840 5.608 1.00 0.00 N ATOM 313 CA LYS A 286 -12.366 7.629 4.946 1.00 0.00 C ATOM 314 C LYS A 286 -13.696 6.869 4.983 1.00 0.00 C ATOM 315 O LYS A 286 -14.757 7.459 5.024 1.00 0.00 O ATOM 316 CB LYS A 286 -11.893 7.815 3.504 1.00 0.00 C ATOM 317 CG LYS A 286 -12.974 8.540 2.700 1.00 0.00 C ATOM 318 CD LYS A 286 -12.784 10.052 2.835 1.00 0.00 C ATOM 319 CE LYS A 286 -11.817 10.544 1.755 1.00 0.00 C ATOM 320 NZ LYS A 286 -12.635 11.434 0.885 1.00 0.00 N ATOM 0 H LYS A 286 -11.256 5.852 5.355 1.00 0.00 H new ATOM 0 HA LYS A 286 -12.539 8.582 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 286 -10.966 8.388 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 286 -11.678 6.846 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 286 -12.919 8.248 1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 286 -13.963 8.254 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 286 -13.744 10.560 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 286 -12.395 10.293 3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 286 -10.977 11.083 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 286 -11.401 9.711 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 -12.042 11.812 0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 -13.423 10.892 0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 -13.012 12.221 1.451 1.00 0.00 H new ATOM 334 N GLY A 287 -13.648 5.567 4.963 1.00 0.00 N ATOM 335 CA GLY A 287 -14.908 4.772 4.991 1.00 0.00 C ATOM 336 C GLY A 287 -14.725 3.525 4.129 1.00 0.00 C ATOM 337 O GLY A 287 -15.143 2.442 4.487 1.00 0.00 O ATOM 0 H GLY A 287 -12.789 5.017 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 287 -15.153 4.490 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 287 -15.739 5.370 4.617 1.00 0.00 H new ATOM 341 N ASP A 288 -14.092 3.669 2.997 1.00 0.00 N ATOM 342 CA ASP A 288 -13.868 2.492 2.114 1.00 0.00 C ATOM 343 C ASP A 288 -12.677 1.684 2.629 1.00 0.00 C ATOM 344 O ASP A 288 -11.752 1.385 1.899 1.00 0.00 O ATOM 345 CB ASP A 288 -13.565 3.080 0.735 1.00 0.00 C ATOM 346 CG ASP A 288 -13.482 1.952 -0.294 1.00 0.00 C ATOM 347 OD1 ASP A 288 -14.227 0.996 -0.158 1.00 0.00 O ATOM 348 OD2 ASP A 288 -12.673 2.063 -1.201 1.00 0.00 O ATOM 0 H ASP A 288 -13.720 4.552 2.646 1.00 0.00 H new ATOM 0 HA ASP A 288 -14.726 1.821 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 288 -14.343 3.789 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 288 -12.625 3.632 0.762 1.00 0.00 H new ATOM 353 N VAL A 289 -12.691 1.336 3.884 1.00 0.00 N ATOM 354 CA VAL A 289 -11.560 0.554 4.457 1.00 0.00 C ATOM 355 C VAL A 289 -11.419 -0.785 3.729 1.00 0.00 C ATOM 356 O VAL A 289 -10.395 -1.434 3.798 1.00 0.00 O ATOM 357 CB VAL A 289 -11.930 0.339 5.924 1.00 0.00 C ATOM 358 CG1 VAL A 289 -10.713 -0.187 6.686 1.00 0.00 C ATOM 359 CG2 VAL A 289 -12.376 1.671 6.534 1.00 0.00 C ATOM 0 H VAL A 289 -13.439 1.560 4.540 1.00 0.00 H new ATOM 0 HA VAL A 289 -10.605 1.069 4.352 1.00 0.00 H new ATOM 0 HB VAL A 289 -12.742 -0.385 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 289 -10.977 -0.340 7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 289 -10.392 -1.133 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 289 -9.901 0.537 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 289 -12.641 1.521 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 289 -11.563 2.393 6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 289 -13.243 2.048 5.991 1.00 0.00 H new ATOM 369 N GLU A 290 -12.435 -1.202 3.025 1.00 0.00 N ATOM 370 CA GLU A 290 -12.346 -2.490 2.292 1.00 0.00 C ATOM 371 C GLU A 290 -11.037 -2.539 1.502 1.00 0.00 C ATOM 372 O GLU A 290 -10.142 -3.302 1.808 1.00 0.00 O ATOM 373 CB GLU A 290 -13.547 -2.487 1.349 1.00 0.00 C ATOM 374 CG GLU A 290 -13.818 -3.912 0.862 1.00 0.00 C ATOM 375 CD GLU A 290 -15.134 -3.943 0.083 1.00 0.00 C ATOM 376 OE1 GLU A 290 -15.815 -2.930 0.067 1.00 0.00 O ATOM 377 OE2 GLU A 290 -15.440 -4.979 -0.484 1.00 0.00 O ATOM 0 H GLU A 290 -13.321 -0.705 2.927 1.00 0.00 H new ATOM 0 HA GLU A 290 -12.356 -3.356 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 290 -14.425 -2.094 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 290 -13.354 -1.832 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 290 -13.000 -4.253 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 290 -13.869 -4.594 1.711 1.00 0.00 H new ATOM 384 N THR A 291 -10.919 -1.722 0.492 1.00 0.00 N ATOM 385 CA THR A 291 -9.669 -1.709 -0.314 1.00 0.00 C ATOM 386 C THR A 291 -8.456 -1.580 0.611 1.00 0.00 C ATOM 387 O THR A 291 -7.490 -2.307 0.492 1.00 0.00 O ATOM 388 CB THR A 291 -9.791 -0.479 -1.215 1.00 0.00 C ATOM 389 OG1 THR A 291 -10.772 -0.723 -2.214 1.00 0.00 O ATOM 390 CG2 THR A 291 -8.443 -0.194 -1.879 1.00 0.00 C ATOM 0 H THR A 291 -11.636 -1.062 0.191 1.00 0.00 H new ATOM 0 HA THR A 291 -9.536 -2.623 -0.893 1.00 0.00 H new ATOM 0 HB THR A 291 -10.087 0.383 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 291 -10.853 0.064 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 291 -8.532 0.683 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 291 -7.692 -0.008 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 291 -8.144 -1.054 -2.479 1.00 0.00 H new ATOM 398 N TYR A 292 -8.507 -0.660 1.536 1.00 0.00 N ATOM 399 CA TYR A 292 -7.365 -0.480 2.478 1.00 0.00 C ATOM 400 C TYR A 292 -6.901 -1.841 3.002 1.00 0.00 C ATOM 401 O TYR A 292 -5.739 -2.187 2.920 1.00 0.00 O ATOM 402 CB TYR A 292 -7.934 0.373 3.614 1.00 0.00 C ATOM 403 CG TYR A 292 -6.874 0.606 4.663 1.00 0.00 C ATOM 404 CD1 TYR A 292 -5.551 0.858 4.282 1.00 0.00 C ATOM 405 CD2 TYR A 292 -7.217 0.575 6.020 1.00 0.00 C ATOM 406 CE1 TYR A 292 -4.571 1.078 5.258 1.00 0.00 C ATOM 407 CE2 TYR A 292 -6.238 0.796 6.996 1.00 0.00 C ATOM 408 CZ TYR A 292 -4.915 1.047 6.615 1.00 0.00 C ATOM 409 OH TYR A 292 -3.949 1.265 7.576 1.00 0.00 O ATOM 0 H TYR A 292 -9.291 -0.024 1.680 1.00 0.00 H new ATOM 0 HA TYR A 292 -6.500 -0.011 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 292 -8.286 1.327 3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 292 -8.795 -0.126 4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 292 -5.286 0.883 3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 292 -8.238 0.380 6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 292 -3.550 1.272 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 292 -6.504 0.773 8.043 1.00 0.00 H new ATOM 0 HH TYR A 292 -4.355 1.210 8.466 1.00 0.00 H new ATOM 419 N ARG A 293 -7.804 -2.616 3.539 1.00 0.00 N ATOM 420 CA ARG A 293 -7.424 -3.952 4.068 1.00 0.00 C ATOM 421 C ARG A 293 -6.827 -4.818 2.954 1.00 0.00 C ATOM 422 O ARG A 293 -5.731 -5.328 3.070 1.00 0.00 O ATOM 423 CB ARG A 293 -8.731 -4.563 4.580 1.00 0.00 C ATOM 424 CG ARG A 293 -9.326 -3.667 5.670 1.00 0.00 C ATOM 425 CD ARG A 293 -8.428 -3.702 6.908 1.00 0.00 C ATOM 426 NE ARG A 293 -8.750 -4.992 7.581 1.00 0.00 N ATOM 427 CZ ARG A 293 -9.837 -5.107 8.297 1.00 0.00 C ATOM 428 NH1 ARG A 293 -10.648 -4.091 8.428 1.00 0.00 N ATOM 429 NH2 ARG A 293 -10.113 -6.240 8.883 1.00 0.00 N ATOM 0 H ARG A 293 -8.791 -2.378 3.633 1.00 0.00 H new ATOM 0 HA ARG A 293 -6.670 -3.883 4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 293 -9.439 -4.672 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 293 -8.546 -5.561 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 293 -9.419 -2.644 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 293 -10.330 -4.006 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 293 -7.374 -3.652 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 293 -8.626 -2.854 7.564 1.00 0.00 H new ATOM 0 HE ARG A 293 -8.120 -5.788 7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 293 -10.433 -3.205 7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 293 -11.496 -4.184 8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 293 -9.481 -7.034 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 293 -10.961 -6.332 9.442 1.00 0.00 H new ATOM 443 N LYS A 294 -7.544 -4.990 1.876 1.00 0.00 N ATOM 444 CA LYS A 294 -7.024 -5.824 0.756 1.00 0.00 C ATOM 445 C LYS A 294 -5.551 -5.507 0.495 1.00 0.00 C ATOM 446 O LYS A 294 -4.673 -6.288 0.805 1.00 0.00 O ATOM 447 CB LYS A 294 -7.878 -5.439 -0.452 1.00 0.00 C ATOM 448 CG LYS A 294 -7.251 -6.012 -1.725 1.00 0.00 C ATOM 449 CD LYS A 294 -8.260 -5.933 -2.872 1.00 0.00 C ATOM 450 CE LYS A 294 -7.516 -5.764 -4.198 1.00 0.00 C ATOM 451 NZ LYS A 294 -7.385 -4.292 -4.380 1.00 0.00 N ATOM 0 H LYS A 294 -8.469 -4.588 1.723 1.00 0.00 H new ATOM 0 HA LYS A 294 -7.082 -6.890 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -8.892 -5.820 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -7.952 -4.354 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -6.349 -5.456 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -6.951 -7.047 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -8.869 -6.837 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -8.940 -5.095 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -6.539 -6.247 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -8.069 -6.216 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -8.116 -3.957 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -7.504 -3.817 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -6.444 -4.072 -4.765 1.00 0.00 H new ATOM 465 N LEU A 295 -5.275 -4.366 -0.078 1.00 0.00 N ATOM 466 CA LEU A 295 -3.861 -3.997 -0.363 1.00 0.00 C ATOM 467 C LEU A 295 -2.971 -4.369 0.826 1.00 0.00 C ATOM 468 O LEU A 295 -2.031 -5.128 0.695 1.00 0.00 O ATOM 469 CB LEU A 295 -3.879 -2.482 -0.569 1.00 0.00 C ATOM 470 CG LEU A 295 -3.845 -2.168 -2.066 1.00 0.00 C ATOM 471 CD1 LEU A 295 -5.275 -2.026 -2.593 1.00 0.00 C ATOM 472 CD2 LEU A 295 -3.087 -0.858 -2.295 1.00 0.00 C ATOM 0 H LEU A 295 -5.969 -3.674 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 295 -3.464 -4.519 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 295 -4.774 -2.054 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 295 -3.022 -2.027 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 295 -3.342 -2.978 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 295 -5.249 -1.802 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 295 -5.817 -2.958 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 295 -5.779 -1.217 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 295 -3.062 -0.634 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 295 -3.590 -0.049 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 295 -2.068 -0.957 -1.921 1.00 0.00 H new ATOM 484 N LYS A 296 -3.264 -3.845 1.985 1.00 0.00 N ATOM 485 CA LYS A 296 -2.440 -4.173 3.181 1.00 0.00 C ATOM 486 C LYS A 296 -2.123 -5.670 3.203 1.00 0.00 C ATOM 487 O LYS A 296 -0.977 -6.072 3.178 1.00 0.00 O ATOM 488 CB LYS A 296 -3.308 -3.791 4.380 1.00 0.00 C ATOM 489 CG LYS A 296 -2.412 -3.361 5.543 1.00 0.00 C ATOM 490 CD LYS A 296 -2.914 -2.032 6.111 1.00 0.00 C ATOM 491 CE LYS A 296 -1.740 -1.063 6.260 1.00 0.00 C ATOM 492 NZ LYS A 296 -1.317 -1.189 7.682 1.00 0.00 N ATOM 0 H LYS A 296 -4.039 -3.204 2.154 1.00 0.00 H new ATOM 0 HA LYS A 296 -1.487 -3.643 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 296 -3.984 -2.980 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 296 -3.928 -4.637 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 296 -2.416 -4.125 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 296 -1.382 -3.257 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 296 -3.670 -1.605 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 296 -3.390 -2.195 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 296 -0.927 -1.321 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 296 -2.039 -0.041 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 -0.514 -0.554 7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 -2.110 -0.931 8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 -1.032 -2.171 7.874 1.00 0.00 H new ATOM 506 N ALA A 297 -3.132 -6.498 3.249 1.00 0.00 N ATOM 507 CA ALA A 297 -2.892 -7.967 3.270 1.00 0.00 C ATOM 508 C ALA A 297 -1.791 -8.335 2.273 1.00 0.00 C ATOM 509 O ALA A 297 -0.726 -8.784 2.647 1.00 0.00 O ATOM 510 CB ALA A 297 -4.223 -8.593 2.854 1.00 0.00 C ATOM 0 H ALA A 297 -4.113 -6.219 3.273 1.00 0.00 H new ATOM 0 HA ALA A 297 -2.566 -8.319 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -4.127 -9.679 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -4.999 -8.303 3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -4.493 -8.245 1.857 1.00 0.00 H new ATOM 516 N LYS A 298 -2.039 -8.147 1.005 1.00 0.00 N ATOM 517 CA LYS A 298 -1.007 -8.485 -0.013 1.00 0.00 C ATOM 518 C LYS A 298 0.369 -7.995 0.447 1.00 0.00 C ATOM 519 O LYS A 298 1.295 -8.766 0.596 1.00 0.00 O ATOM 520 CB LYS A 298 -1.442 -7.748 -1.280 1.00 0.00 C ATOM 521 CG LYS A 298 -2.713 -8.393 -1.836 1.00 0.00 C ATOM 522 CD LYS A 298 -2.551 -8.631 -3.339 1.00 0.00 C ATOM 523 CE LYS A 298 -3.442 -7.655 -4.109 1.00 0.00 C ATOM 524 NZ LYS A 298 -2.912 -7.668 -5.501 1.00 0.00 N ATOM 0 H LYS A 298 -2.912 -7.774 0.631 1.00 0.00 H new ATOM 0 HA LYS A 298 -0.924 -9.560 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -1.623 -6.696 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -0.647 -7.784 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -2.907 -9.337 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -3.572 -7.748 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -1.509 -8.495 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -2.820 -9.658 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -4.486 -7.967 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -3.397 -6.655 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -3.473 -7.021 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -1.919 -7.360 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -2.974 -8.632 -5.887 1.00 0.00 H new ATOM 538 N LEU A 299 0.506 -6.715 0.669 1.00 0.00 N ATOM 539 CA LEU A 299 1.818 -6.167 1.116 1.00 0.00 C ATOM 540 C LEU A 299 2.458 -7.091 2.155 1.00 0.00 C ATOM 541 O LEU A 299 3.613 -7.451 2.051 1.00 0.00 O ATOM 542 CB LEU A 299 1.487 -4.811 1.740 1.00 0.00 C ATOM 543 CG LEU A 299 2.694 -4.305 2.531 1.00 0.00 C ATOM 544 CD1 LEU A 299 2.967 -2.844 2.168 1.00 0.00 C ATOM 545 CD2 LEU A 299 2.402 -4.412 4.029 1.00 0.00 C ATOM 0 H LEU A 299 -0.236 -6.024 0.560 1.00 0.00 H new ATOM 0 HA LEU A 299 2.527 -6.079 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 299 1.223 -4.095 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 299 0.621 -4.902 2.396 1.00 0.00 H new ATOM 0 HG LEU A 299 3.568 -4.909 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 299 3.827 -2.484 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 299 3.175 -2.767 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 299 2.094 -2.239 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 299 3.262 -4.052 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 299 1.528 -3.808 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 299 2.208 -5.453 4.288 1.00 0.00 H new